SCHEMBL6383602

SCHEMBL6383602

CC(=O)C1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
RECQL P46063 2/20 0.60
POLB P06746 2/20 0.59
S100A4 P26447 2/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
PTPRC P08575 1/20 0.47
MCL1 Q07820 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14452741 0.84 MAPT (0.53) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL9568083 0.81 MAPT (0.50) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL30398320 0.81 MAPT (0.50) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL1115885 0.79 MAPT (0.46) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL3500402 0.74 ADORA2A (0.42) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL12856296 0.74 MAPT (0.44) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL2112664 0.72 HBB (0.61) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL1179148 0.72 MAPT (0.43) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL9817568 0.72 S100A4 (0.50) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL9473707 0.71 S100A4 (0.53) MAPTKMT2AMEN1TDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001961-B1 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES AND METHOD FOR PRODUCING SAME AVENTIS PHARMA GMBH (DE) 2005-01-26 EP claimed
US-6756489-B1 PROTECTED MONOSACCHARIDES HAVING AN ALLYL PROTECTING GROUP, A SILANE-PROTECTED HYDROXY GROUP AND A CARBOXY OR AMIDE CONTAINING PROTECTIVE GROUP; EASILY MADE BY COMBINATORIAL CHEMISTRY; APPLICATIONS TO AUTOIMMUNE AND CANCER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-29 US claimed
EP-1001961-A2 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES, METHOD FOR PRODUCING SAME, THEIR USE AS MEDICINE OR DIAGNOSTIC AGENT, AS WELL AS MEDICINE CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2000-05-24 EP claimed
WO-1999007718-A2 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES, METHOD FOR PRODUCING SAME, THEIR USE AS MEDICINE OR DIAGNOSTIC AGENT, AS WELL AS MEDICINE CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-02-18 WO claimed
EP-1001961-B1 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES AND METHOD FOR PRODUCING SAME AVENTIS PHARMA GMBH (DE) 2005-01-26 EP disclosed
US-6765089-B1 FOR USE IN THE SYNTHESIS OF PEPTIDES, OLIGOSACCHARIDES, GLYCOPEPTIDES AND GLYCOLIPIDS ALCHEMIA PTY LTD (AU) 2004-07-20 US disclosed
US-6756489-B1 PROTECTED MONOSACCHARIDES HAVING AN ALLYL PROTECTING GROUP, A SILANE-PROTECTED HYDROXY GROUP AND A CARBOXY OR AMIDE CONTAINING PROTECTIVE GROUP; EASILY MADE BY COMBINATORIAL CHEMISTRY; APPLICATIONS TO AUTOIMMUNE AND CANCER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-29 US disclosed
US-6462183-B1 SOLID PHASE OLIGOSACCHARIDE SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-10-08 US disclosed
EP-0977763-A4 PROTECTED AMINOSUGARS ALCHEMIA PTY LTD (AU) 2000-07-12 EP disclosed
EP-1001961-A2 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES, METHOD FOR PRODUCING SAME, THEIR USE AS MEDICINE OR DIAGNOSTIC AGENT, AS WELL AS MEDICINE CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2000-05-24 EP disclosed
EP-0977763-A1 PROTECTED AMINOSUGARS Alchemia Pty. Ltd. (AU) 2000-02-09 EP disclosed
WO-1999007718-A2 SUBSTITUTED TETRAHYDROPYRANE DERIVATIVES, METHOD FOR PRODUCING SAME, THEIR USE AS MEDICINE OR DIAGNOSTIC AGENT, AS WELL AS MEDICINE CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-02-18 WO disclosed
WO-1998038197-A1 PROTECTED AMINOSUGARS ALCHEMIA PTY. LTD. (AU) 1998-09-03 WO disclosed
US-4741765-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-03 US disclosed
US-4678499-A PRE- AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-07-07 US disclosed
EP-0203679-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-03 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed